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Substance Name: Cyclopentanecarboxylic acid, 3-(((2-(3,4-dimethoxyphenyl)ethyl)amino)carbonyl)-1,2,2-trimethyl-, monosodium salt, (1R-cis)-
RN: 67844-19-3
InChIKey: VFUUXHYDEYUGMX-MRVNXENUSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N-O5.Na

Molecular Weight

  • 385.4332
 
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Names and Synonyms

  • Cyclopentanecarboxylic acid, 3-(((2-(3,4-dimethoxyphenyl)ethyl)amino)carbonyl)-1,2,2-trimethyl-, monosodium salt, (1R-cis)-

Registry Numbers

CAS Registry Number

  • 67844-19-3

System Generated Number

  • 0067844193

Molecular Formulas

Molecular Formula

  • C20-H28-N-O5.Na

Molecular Formula Fragments

  • C20-H28-N-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H29NO5.Na/c1-19(2)14(8-10-20(19,3)18(23)24)17(22)21-11-9-13-6-7-15(25-4)16(12-13)26-5;/h6-7,12,14H,8-11H2,1-5H3,(H,21,22)(H,23,24);/q;+1/p-1/t14-,20+;/m1./s1

InChIKey

VFUUXHYDEYUGMX-MRVNXENUSA-M

Smiles

C[C@]1(CC[C@@H](C1(C)C)C(=O)NCCc2ccc(c(c2)OC)OC)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4640mg/kg (4640mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2659052,